NeqSim Capability Map

Structured reference of what NeqSim can do, organized by engineering discipline. Use this to quickly check if a capability exists before searching the source code.

Last updated: 2026-08-02

A. Thermodynamic Models (Equations of State)

Cubic EOS

Class	Fluid Type	Mixing Rule	Notes
`SystemSrkEos`	Dry/lean gas, simple HC	`"classic"`	Most common choice
`SystemPrEos`	General HC, oil systems	`"classic"`	Better liquid densities than SRK
`SystemPrEos1978`	HC with Peng-Robinson 1978	`"classic"`	Updated alpha function
`SystemPrEosvolcor`	PR with volume correction	`"classic"`	Volume-translated PR
`SystemSrkEosvolcor`	SRK with volume correction	`"classic"`	Volume-translated SRK
`SystemSrkPenelouxEos`	SRK with Peneloux correction	`"classic"`	Volume shift
`SystemSrkMathiasCopeman`	SRK + Mathias-Copeman alpha	`"classic"`	Better vapor pressure fit
`SystemPrMathiasCopeman`	PR + Mathias-Copeman alpha	`"classic"`	Better vapor pressure fit
`SystemSrkTwuCoonEos`	SRK + Twu-Coon alpha	`"classic"`	TST-type alpha function
`SystemRKEos`	Redlich-Kwong (original)	`"classic"`	Historical / teaching
`SystemPrDanesh`	PR-Danesh variant	`"classic"`	Oil recovery applications
`SystemPsrkEos`	Predictive SRK (group contribution)	—	No BIPs needed for some systems
`SystemSrkSchwartzentruberEos`	SRK + Schwarzentruber-Renon	`"classic"`	Polar compounds

Association & Polar EOS (CPA)

Class	Fluid Type	Mixing Rule	Notes
`SystemSrkCPAstatoil`	Water, MEG, methanol, polar	`10` (numeric)	Primary CPA choice
`SystemSrkCPA`	CPA (generic)	`10`	Base CPA
`SystemSrkCPAs`	CPA simplified	`10`	Faster CPA variant
`SystemPrCPA`	PR-based CPA	`10`	PR + association
`SystemElectrolyteCPAstatoil`	Brines, salt solutions	`10`	Electrolyte + CPA
`SystemElectrolyteCPA`	Electrolyte CPA	`10`	Base electrolyte

Reference EOS (High Accuracy)

Class	Fluid Type	Notes
`SystemGERG2008Eos`	Natural gas (custody transfer)	ISO 20765, highest accuracy
`SystemGERG2004Eos`	Natural gas (older GERG)	Predecessor to 2008
`SystemSpanWagnerEos`	Pure CO2	CO2 reference EOS
`SystemLeachmanEos`	Pure hydrogen	H2 reference EOS
`SystemWaterIF97`	Pure water / steam	IAPWS-IF97
`SystemVegaEos`	LNG / cryogenic	Specialized for LNG

SAFT Family

Class	Fluid Type	Notes
`SystemPCSAFT`	Polymers, associating	PC-SAFT
`SystemPCSAFTa`	PC-SAFT variant	Alternative parameterization

Other / Specialized

Class	Fluid Type	Notes
`SystemBWRSEos`	Benedict-Webb-Rubin-Starling	Only CH4 + C2H6 parameterized
`SystemIdealGas`	Ideal gas law	Teaching / reference
`SystemBnsEos`	BNS EOS	Specialized
`SystemUMRPRUEos`	UMRPRU group contribution	Predictive mixing rules
`SystemNRTL`	Activity coefficient (NRTL)	Liquid-liquid equilibrium
`SystemUNIFAC`	Activity coefficient (UNIFAC)	Group contribution
`SystemSoreideWhitson`	Soreide-Whitson for oil/water	HC-water mutual solubility
`SystemKentEisenberg`	Acid gas treating	H2S/CO2 in amines
`SystemDesmukhMather`	Acid gas treating	Amine systems
`SystemDuanSun`	CO2 in brine	CO2 solubility
`SystemAmmoniaEos`	Ammonia systems	NH3-specific

Package: neqsim.thermo.system

B. Flash Calculations (ThermodynamicOperations)

Method	Class/Operation	Notes
TP flash	`ops.TPflash()`	Standard pressure-temperature
PH flash	`ops.PHflash()`	Pressure-enthalpy
PS flash	`ops.PSflash()`	Pressure-entropy
TV flash	`ops.TVflash()`	Temperature-volume
UV flash	`ops.UVflash()`	Internal energy-volume
Dew point P	`ops.dewPointPressureFlash()`	At given T
Dew point T	`ops.dewPointTemperatureFlash()`	At given P
Bubble point P	`ops.bubblePointPressureFlash()`	At given T
Bubble point T	`ops.bubblePointTemperatureFlash()`	At given P
Phase envelope	`ops.calcPTphaseEnvelope()`	Full PT envelope
Cricondenbar	`ops.calcPTphaseEnvelope()` → `.get("cricondenbar")`	Max pressure on envelope
Cricondentherm	`ops.calcPTphaseEnvelope()` → `.get("cricondentherm")`	Max temperature on envelope
Solid flash	`ops.TPSolidflash()`	Wax, hydrate, ice, S8 precipitation
Hydrate T	`ops.hydrateEquilibriumTemperature()`	Hydrate formation temperature
Hydrate P	`ops.hydrateFormationPressure()`	Hydrate formation pressure
Wax T	`ops.calcWAT()`	Wax appearance temperature
Freeze T	`ops.freezingPointTemperatureFlash()`	Freeze-out temperature
Water dew point	`ops.waterDewPointTemperature()`	Water content specification

CRITICAL: After any flash, call fluid.initProperties() before reading transport properties (viscosity, thermal conductivity, density).

Package: neqsim.thermodynamicoperations

C. Process Equipment

Separation

Class	Type	Package
`Separator`	2-phase (gas/liquid)	`process.equipment.separator`
`ThreePhaseSeparator`	3-phase (gas/oil/water)	`process.equipment.separator`
`GasScrubber`	Gas scrubbing	`process.equipment.separator`
`GasScrubberSimple`	Simplified scrubber	`process.equipment.separator`
`NeqSeparator`	Non-equilibrium separator	`process.equipment.separator`

Compression & Expansion

Class	Type	Package
`Compressor`	Centrifugal / reciprocating	`process.equipment.compressor`
`CompressorChart`	Performance curves	`process.equipment.compressor`
`Expander`	Turbo-expander	`process.equipment.expander`

Heat Transfer

Class	Type	Package
`Heater`	Generic heater (duty specification)	`process.equipment.heatexchanger`
`Cooler`	Generic cooler (duty specification)	`process.equipment.heatexchanger`
`HeatExchanger`	Shell-and-tube (2 streams)	`process.equipment.heatexchanger`
`NeqHeater`	Non-equilibrium heater	`process.equipment.heatexchanger`

Valves & Pressure Control

Class	Type	Package
`ThrottlingValve`	Isenthalpic flash	`process.equipment.valve`

Distillation & Absorption

Class	Type	Package
`DistillationColumn`	Tray column	`process.equipment.distillation`
`Condenser`	Column condenser	`process.equipment.distillation`
`Reboiler`	Column reboiler	`process.equipment.distillation`
`SimpleTEGAbsorber`	TEG absorption	`process.equipment.absorber`
`SimpleAbsorber`	Generic absorber	`process.equipment.absorber`
`WaterStripperColumn`	Water stripper	`process.equipment.absorber`

Mixing & Splitting

Class	Type	Package
`Mixer`	Stream mixing	`process.equipment.mixer`
`StaticMixer`	In-line mixer	`process.equipment.mixer`
`Splitter`	Stream splitting	`process.equipment.splitter`
`ComponentSplitter`	Component-based split	`process.equipment.splitter`

Pipelines & CO2 Well Analysis

Class	Type	Package
`AdiabaticPipe`	Adiabatic pipe flow	`process.equipment.pipeline`
`PipeBeggsAndBrills`	Beggs & Brill correlation (+ formation temperature gradient)	`process.equipment.pipeline`
`PipeGray`	Gray (1974) multiphase vertical flow for gas / gas-condensate wells (Woldesemayat-Ghajar holdup option)	`process.equipment.pipeline`
`VoidFractionCorrelations`	Two-phase void-fraction / gas-holdup correlations (Woldesemayat-Ghajar 2007)	`process.equipment.pipeline`
`TwoFluidPipe`	Transient two-fluid multiphase model with 7 conservation equations, AUSM+, boundary conditions, direct electrical heating (DEH). See `neqsim-flow-assurance` for validity limits	`process.equipment.pipeline`
`CO2InjectionWellAnalyzer`	CO2 injection well safety analysis	`process.equipment.pipeline`
`TransientWellbore`	Shutdown cooling / depressurization transient	`process.equipment.pipeline`
`CO2FlowCorrections`	CO2-specific two-phase flow corrections (static utility)	`process.equipment.pipeline`
`InterfacialFriction`	Interfacial friction closures (Taitel-Dukler, Andritsos-Hanratty, Wallis, Oliemans)	`process.equipment.pipeline.twophasepipe.closure`
`OnePhasePipeFlowNode`	Single-phase pipe	`fluidmechanics`
`TwoPhasePipeFlowNode`	Two-phase pipe	`fluidmechanics`

Reactors

Class	Type	Package
`GibbsReactor`	Gibbs energy minimization	`process.equipment.reactor`
`GibbsReactorCO2`	CO2-focused Gibbs reactor	`process.equipment.reactor`
`StoichiometricReaction`	Stoichiometric reactions	`process.equipment.reactor`
`StirredTankReactor`	CSTR	`process.equipment.reactor`
`FurnaceBurner`	Combustion	`process.equipment.reactor`
`SulfurDepositionAnalyser`	S8 deposition analysis	`process.equipment.reactor`
`AmmoniaSynthesisReactor`	NH3 synthesis	`process.equipment.reactor`
`AnaerobicDigester`	Biogas production (AD)	`process.equipment.reactor`
`FermentationReactor`	Monod/Contois/substrate-inhibited kinetics	`process.equipment.reactor`
`BiogasUpgrader`	Biogas upgrading (membrane, PSA, amine, water scrub)	`process.equipment.splitter`
`BiomassGasifier`	Thermochemical gasification	`process.equipment.reactor`
`PyrolysisReactor`	Fast/slow/flash pyrolysis	`process.equipment.reactor`

Biorefinery Modules (Pre-built)

Class	Type	Package
`BiogasToGridModule`	AD → upgrading → compression → grid	`process.processmodel.biorefinery`
`GasificationSynthesisModule`	Biomass gasification + Fischer-Tropsch	`process.processmodel.biorefinery`
`WasteToEnergyCHPModule`	AD → gas engine CHP	`process.processmodel.biorefinery`

Sustainability & Cost

Class	Type	Package
`SustainabilityMetrics`	CO₂eq tracking, carbon intensity, EROI	`process.util.fielddevelopment`
`BiomassCharacterization`	Biomass properties (proximate, ultimate, HHV)	`thermo.characterization`
`BiorefineryCostEstimator`	CAPEX/OPEX for biorefinery equipment	`process.mechanicaldesign`

Measurement Devices & Instrumentation

Class	Type	Package
`ImpurityMonitor`	Phase-partitioned impurity tracker with alarms	`process.measurementdevice`
`PressureTransmitter`	Pressure measurement (PT)	`process.measurementdevice`
`TemperatureTransmitter`	Temperature measurement (TT)	`process.measurementdevice`
`LevelTransmitter`	Level measurement (LT)	`process.measurementdevice`
`VolumeFlowTransmitter`	Volume flow measurement (FT)	`process.measurementdevice`
`MassFlowTransmitter`	Mass flow measurement	`process.measurementdevice`
`WaterDewPointAnalyser`	Water dew point measurement	`process.measurementdevice`
`HydrocarbonDewPointAnalyser`	HC dew point measurement	`process.measurementdevice`
`WaterContentAnalyser`	Water content measurement	`process.measurementdevice`
`CO2waterAnalyser`	CO2 in water measurement	`process.measurementdevice`
`AlarmConfig`	Alarm HH/H/L/LL thresholds per IEC 61511	`process.measurementdevice`
`AlarmState`	Current alarm state tracking	`process.measurementdevice`
`ProcessAlarmManager`	System-wide alarm management	`process.measurementdevice`
`InstrumentTagRole`	Tag role classification (INPUT/BENCHMARK/VIRTUAL)	`process.measurementdevice`
`ControllerDeviceBaseClass`	PID controller base	`process.equipment.controller`
`DynamicProcessHelper`	Auto-instruments and controls a ProcessSystem	`process.equipment.util`

Pumps

Class	Type	Package
`Pump`	Liquid pump	`process.equipment.pump`

Subsea & Wells

Class	Type	Package
`SubseaWell`	Subsea well model	`process.equipment.subsea`

Utilities & Special

Class	Type	Package
`Recycle`	Stream recycle convergence	`process.equipment.util`
`Adjuster`	Variable adjuster	`process.equipment.util`
`SetPoint`	Set point controller	`process.equipment.util`
`Calculator`	Custom calculator	`process.equipment.util`
`StreamSaturatorUtil`	Stream saturation	`process.equipment.util`
`GasGenerator`	Gas generation	`process.equipment.util`
`Flare`	Flare system	`process.equipment.flare`
`Filter`	Particle filter	`process.equipment.filter`
`Ejector`	Ejector / eductor	`process.equipment.ejector`
`Electrolyzer`	Water electrolysis	`process.equipment.electrolyzer`
`Tank`	Storage tank	`process.equipment.tank`
`Manifold`	Production / gathering / commingling / export / subsea manifold & headers — use for ALL manifolds, not `Mixer`/`Splitter`. Always route downstream from a split stream: single destination → `setSplitFactors([1.0])` + `getSplitStream(0)`; multiple → `setSplitFactors([...])` + `getSplitStream(i)`. `getMixedStream()` = internal commingled stream (before split), inspection only	`process.equipment.manifold`
`SimpleReservoir`	Simple reservoir model	`process.equipment.reservoir`

Process System

Class	Type	Package
`ProcessSystem`	Flowsheet container	`process.processmodel`
`ProcessConnection`	Equipment connections	`process.processmodel`

D. PVT Simulations

Class	Experiment	Package
`ConstantMassExpansion`	CME / CCE	`pvtsimulation.simulation`
`ConstantVolumeDepletion`	CVD	`pvtsimulation.simulation`
`DifferentialLiberation`	Differential liberation	`pvtsimulation.simulation`
`SeparatorTest`	Multi-stage separator test	`pvtsimulation.simulation`
`SwellingTest`	Gas injection swelling	`pvtsimulation.simulation`
`SaturationPressure`	Bubble/dew point P	`pvtsimulation.simulation`
`SaturationTemperature`	Bubble/dew point T	`pvtsimulation.simulation`
`SlimTube`	Slim tube / MMP	`pvtsimulation.simulation`
`ViscositySimulation`	Viscosity vs P	`pvtsimulation.simulation`
`GOR`	Gas-oil ratio vs P	`pvtsimulation.simulation`

Reservoir Material Balance & Surveillance (inverse)

Class	Assessment	Package
`DeclineCurveAnalysis`	Arps + Duong (2011) decline; forward rate/EUR and least-squares history matching (`fitArps`, `fitDuong`)	`pvtsimulation.util`
`GasMaterialBalance`	Gas P/Z straight line (OGIP), Cole plot aquifer diagnostic, Havlena-Odeh	`pvtsimulation.reservoirproperties.materialbalance`
`OilMaterialBalance`	Havlena-Odeh oil balance (OOIP, gas-cap ratio m, water drive, Pirson drive indices)	`pvtsimulation.reservoirproperties.materialbalance`
`VanEverdingenHurstAquifer`	Radial aquifer influence functions, Carter-Tracy cumulative influx, ECLIPSE AQUTAB export	`pvtsimulation.reservoirproperties.materialbalance`

Flow Assurance (PVT module)

Class	Assessment	Package
`DeWaardMilliamsCorrosion`	CO2/H2S corrosion rate (screening)	`pvtsimulation.flowassurance`

Corrosion & Scale (process module)

Class	Assessment	Package
`NorsokM506CorrosionRate`	NORSOK M-506 CO2 corrosion (fugacity, in-situ pH, FeCO3 film, shear, glycol/inhibitor)	`process.corrosion`
`NorsokM506ElectrolyteBridge`	Drives NORSOK M-506 from a `SystemElectrolyteCPAstatoil` brine (rigorous pH + FeCO3 supersaturation)	`process.corrosion`
`CO2CorrosionAnalyzer`	de Waard-Milliams from an electrolyte fluid	`pvtsimulation.flowassurance`
`PipeSegmentIntegrity`	Per-segment CO2 corrosion + CaCO3 scale profile along a line (`fromPipe`)	`process.corrosion`
`RobustAqueousPH`	Always-finite, source-tagged in-situ pH with explicit pCO2 basis (rigorous else CO2-water correlation)	`process.corrosion`
`FlowAcceleratedCorrosion`	FAC screening index for closed hot-water/glycol loops: Berger-Hau mass transfer, 150 °C solubility peak, pH, bend/weld geometry, Cr content. Distinct from erosion-corrosion and from NORSOK M-506 CO2 corrosion	`process.corrosion`
`AmineBufferedPH`	Converts a laboratory pH measured on a cooled sample into in-situ pH at operating temperature, and reports the alkaline margin above neutrality (neutral is pH 5.85 at 150 °C, not 7)	`process.corrosion`
`Phase.getpH()`	Aqueous in-situ pH; built-in acid-gas fallback (`getpH("acidgas")`) gives CO2/H2S pH without `chemicalReactionInit()`	`thermo.phase`
`ElectrolyteScaleCalculator`	Activity-corrected SI for CaCO3/BaSO4/CaSO4/SrSO4 (Davies + Ksp(T)) from ion mg/L	`process.chemistry.scale`
`ThermodynamicOperations.checkScalePotential(phase)`	Rigorous saturation ratio SR=IAP/Ksp per salt from a speciated brine (needs `chemicalReactionInit()`); read `getResultTable()`	`thermodynamicoperations`
`ScaleMassCalculator`	Precipitated scale mass (mg/L) per mineral from SI + ion conc.; rigorous amount via solid-phase flash (`hasPhaseType("solid")`)	`pvtsimulation.flowassurance`
`ScaleKinetics`	Induction time + reaction-vs-transport growth regime on top of an SI	`process.chemistry.scale`
`BrineMixingScaleEvaluator`	Seawater/formation-water mixing incompatibility sweep	`process.chemistry.scale`
`ScaleDepositionAccumulator`	Scale deposition along a `PipeBeggsAndBrills` profile	`process.chemistry.scale`

Regression / Tuning

Class	Purpose	Package
`ModelTuning`	EOS parameter fitting	`pvtsimulation.modeltuning`

E. Gas Quality Standards

Class	Standard	Package
`Standard_ISO6976`	ISO 6976 — calorific value, Wobbe, density	`standards.gasquality`
`StandardISO69762016`	ISO 6976:2016 update	`standards.gasquality`
`Standard_ISO6578`	ISO 6578 — LNG custody transfer	`standards.gasquality`
`Standard_ISO15403`	ISO 15403 — natural gas for vehicles	`standards.gasquality`
`Standard_EN16726`	EN 16726 — European gas quality	`standards.gasquality`
`UKgasQuality`	UK gas quality specification	`standards.gasquality`
`GasChromatographData`	GC data processing	`standards.gasquality`
`BrackettedMolarComposition`	Molar composition bracketing	`standards.gasquality`
`Draft_GERG2004`	GERG-2004 draft implementation	`standards.gasquality`
`SulfurSpecificationMethod`	H2S / total sulfur limits	`standards.gasquality`

Oil Quality

Class	Standard	Package
`StandardASTMD6377`	ASTM D6377 — vapor pressure	`standards.oilquality`
`StandardASTMD2887`	ASTM D2887 — simulated distillation	`standards.oilquality`
`StandardASTMD4294`	ASTM D4294 — sulfur in oil	`standards.oilquality`

F. Mechanical Design

Class	Equipment	Package
`MechanicalDesign`	Base class	`process.mechanicaldesign`
`SeparatorMechanicalDesign`	Separator vessel sizing, K-factor, demister config, nozzle sizing, liquid levels (HHLL/HLL/NLL/LLL/LLLL), inlet device, foam allowance, retention time, entrainment performance, design validation. Gateway for all separator physical configuration. Bridge methods: entrainment (`setInletPipeDiameter`, `setInletDeviceType`, `addSeparatorSection`, `setGasLiquidSurfaceTension`) and dynamic internals (`setWeirHeightAbsolute`, `setWeirLength`, `setBootVolume`, `setMistEliminatorDpCoeff`, `setMistEliminatorThickness`, `applyDemistingInternal`). Separation-efficiency report (`calculateSeparationEfficiency()` → `SeparatorEfficiencyReport`, two- and three-phase; `setEfficiencyModelEnabled(bool)` toggle; `setDemisterType`/`setDemisterSubType`).	`process.mechanicaldesign.separator`
`SeparatorEfficiencyReport`	Whole-separator/scrubber separation-efficiency report — per-internal K-factor operating windows, overall gas-liquid efficiency, gas/oil/water entrainment + carry-under fractions, verdict (`GOODPERFORMANCE`/`BELOW``TURNDOWN`/`FLOODINGRISK`/`MARGINAL``EFFICIENCY`), `toJson()`.	`process.mechanicaldesign.separator`
`InternalOperatingWindow`	K-factor operating window for a demisting internal — classifies operating Souders-Brown K vs `[Kmin, Kmax]` as `BELOWMINTURNDOWN`/`INRANGE`/`ABOVE``MAX_FLOODING`, with utilization and turndown ratio.	`process.mechanicaldesign.separator.internals`
`DemistingInternal`	Demisting internal sizing — Souders-Brown max gas velocity, Eu-number pressure drop, carry-over model, database K-factor window (`fromDatabase(type, subType)`, `getOperatingWindow(opK)`). Types: wire mesh, vane pack, cyclone.	`process.mechanicaldesign.separator.internals`
`DemistingInternalWithDrainage`	Demisting internal with drainage section — reduces carry-over by drainage efficiency factor.	`process.mechanicaldesign.separator.internals`
`PrimarySeparation`	Inlet device base — inlet momentum (rho*v^2), momentum limit checking, liquid carry-over with degradation.	`process.mechanicaldesign.separator.primaryseparation`
`InletVane`	Inlet vane device (6000 Pa max momentum, 85% bulk efficiency).	`process.mechanicaldesign.separator.primaryseparation`
`InletVaneWithMeshpad`	Inlet vane + downstream mesh pad (92% + mesh pad capture).	`process.mechanicaldesign.separator.primaryseparation`
`InletCyclones`	Inlet cyclone cluster (8000 Pa max momentum, 95% bulk efficiency).	`process.mechanicaldesign.separator.primaryseparation`
`PipelineMechanicalDesign`	ASME and legacy DNV-OS wall thickness plus access to typed DNV-ST-F101 screening	`process.mechanicaldesign.pipeline`
`DnvStF101PipelineDesignKernel`	Fail-closed 2021 screening: containment, collapse, propagation, load interaction, fatigue, pressure cases, derating, safety class, ovality, fabrication route, installation strain. `SCREENING` only; independent approval required.	`process.engineering.calculation`
`DnvRpF109OnBottomStabilityKernel`	Fail-closed DNV-RP-F109 vertical, absolute-static lateral, and external-displacement screening; always review-required	`process.engineering.calculation`
`DnvRpF109OnBottomStabilityCalculator`	Pure on-bottom load, resistance, required submerged-weight, and utilization calculation	`process.mechanicaldesign.subsea`
`CompressorMechanicalDesign`	Compressor design	`process.mechanicaldesign.compressor`
`ValveMechanicalDesign`	Valve mechanical design	`process.mechanicaldesign.valve`
`HeatExchangerMechanicalDesign`	HX mechanical design with auto-selection (min area/weight/dP)	`process.mechanicaldesign.heatexchanger`
`CompressorDesignFeasibilityReport`	Compressor feasibility (design + cost + suppliers + curves)	`process.mechanicaldesign.compressor`
`HeatExchangerDesignFeasibilityReport`	HX/cooler/heater feasibility (design + cost + suppliers)	`process.mechanicaldesign.heatexchanger`
`ThermalDesignCalculator`	Tube/shell-side HTCs, overall U, pressure drops, zone analysis	`process.mechanicaldesign.heatexchanger`
`BellDelawareMethod`	Bell-Delaware shell-side HTC & dP with J-factor corrections	`process.mechanicaldesign.heatexchanger`
`LMTDcorrectionFactor`	LMTD F_t for multi-pass configurations (Bowman-Mueller-Nagle)	`process.mechanicaldesign.heatexchanger`
`VibrationAnalysis`	Flow-induced vibration screening per TEMA RCB-4.6	`process.mechanicaldesign.heatexchanger`
`ShellAndTubeDesignCalculator`	Full TEMA-based S&T design with ASME VIII, NACE, thermal, cost	`process.mechanicaldesign.heatexchanger`
`WellMechanicalDesign`	Well casing design	`process.mechanicaldesign.subsea`
`WellDesignCalculator`	API 5C3 calculations	`process.mechanicaldesign.subsea`
`WellCostEstimator`	Well cost estimation	`process.mechanicaldesign.subsea`
`SURFCostEstimator`	Subsea CAPEX	`process.mechanicaldesign.subsea`
`SubseaCostEstimator`	Regional cost factors	`process.mechanicaldesign.subsea`
`FieldDevelopmentDesignOrchestrator`	Full field design	`process.mechanicaldesign`
`MotorMechanicalDesign`	Motor foundation, vibration, cooling, bearings, noise, enclosure	`process.mechanicaldesign.motor`
`EquipmentDesignReport`	Combined mech + elec + motor design report with verdict	`process.mechanicaldesign`

Engineering Deliverables

Class	Purpose	Package
`StudyClass`	Enum (CLASSA/CLASSB/CLASS_C) defining required deliverables per study tier	`process.mechanicaldesign`
`EngineeringDeliverablesPackage`	Orchestrates generation of all deliverables for a study class	`process.mechanicaldesign`
`ProcessFlowDiagramExporter`	Graphviz DOT export of ProcessSystem topology	`process.processmodel`
`ThermalUtilitySummary`	Cooling water, LP/MP/HP steam, fuel gas, instrument air	`process.mechanicaldesign`
`AlarmTripScheduleGenerator`	Alarm/trip setpoints per IEC 61511 / NORSOK I-001	`process.mechanicaldesign`
`InstrumentScheduleGenerator`	ISA-5.1 tagged instrument schedule with live MeasurementDevice bridge	`process.mechanicaldesign`
`SparePartsInventory`	Recommended spare parts by equipment type with lead times	`process.mechanicaldesign`
`FireProtectionDesign`	Jet fire, BLEVE, pool fire scenario assessment (API 521)	`process.mechanicaldesign.designstandards`
`NoiseAssessment`	Equipment noise + ISO 9613-2 atmospheric attenuation	`process.mechanicaldesign.designstandards`

Electrical Design

Class	Purpose	Package
`ElectricalDesign`	Base class — sizes motor, VFD, cables, switchgear	`process.electricaldesign`
`ElectricalMotor`	AC induction motor model (IEC 60034, IEEE 841)	`process.electricaldesign.components`
`VariableFrequencyDrive`	VFD with topology, harmonics, efficiency	`process.electricaldesign.components`
`ElectricalCable`	Cable sizing with derating (IEC 60502)	`process.electricaldesign.components`
`Transformer`	Power transformer model (IEC 60076)	`process.electricaldesign.components`
`Switchgear`	MCC / switchgear bucket (IEC 61439)	`process.electricaldesign.components`
`HazardousAreaClassification`	Zone / Ex marking (IEC 60079)	`process.electricaldesign.components`
`CompressorElectricalDesign`	Compressor-specific with auxiliary loads	`process.electricaldesign.compressor`
`PumpElectricalDesign`	Pump-specific design	`process.electricaldesign.pump`
`SeparatorElectricalDesign`	Separator auxiliary loads	`process.electricaldesign.separator`
`HeatExchangerElectricalDesign`	Electric heater / air cooler / S&T detection	`process.electricaldesign.heatexchanger`
`PipelineElectricalDesign`	Heat tracing, cathodic protection	`process.electricaldesign.pipeline`
`SystemElectricalDesign`	Plant-wide load aggregation, transformer sizing	`process.electricaldesign.system`
`ElectricalLoadList`	Load list with demand/diversity factors	`process.electricaldesign.loadanalysis`

G. Physical Properties

Class	Property	Package
`PhysicalPropertyHandler`	Property dispatcher	`physicalproperties`
Viscosity models	Gas/liquid/mixing rule	`physicalproperties.methods`
Thermal conductivity	Gas/liquid	`physicalproperties.methods`
Diffusion coefficients	Binary diffusion	`physicalproperties.methods`

Access pattern: After fluid.initProperties(), use:

fluid.getPhase("gas").getViscosity("kg/msec")
fluid.getPhase("gas").getThermalConductivity("W/mK")
fluid.getPhase("gas").getDensity("kg/m3")

H. Utility Classes

Class	Purpose	Package
`FluidBuilder`	Fluent fluid construction	`thermo.system`
`HeatMaterialBalance`	Process-wide H&M balance	`util.engineering`
`SensitivityAnalysis`	Parametric sweeps	`util.engineering`
`MonteCarloSimulator`	Monte Carlo sampling	`util.engineering`
`ConvergenceDiagnostics`	Solver diagnostics	`util.engineering`
`HydrateRiskMapper`	Hydrate risk matrix	`util.engineering`
`EOSComparison`	Multi-EOS comparison	`util.engineering`
`PinchAnalyzer`	Pinch analysis (heat integration)	`util.engineering`
`DCFCalculator`	NPV / DCF economics	`util.engineering`
`DebottleneckAnalyzer`	Capacity bottleneck finding	`util.engineering`
`ProcessValidator`	Equipment validation	`util.engineering`
`CoolingWaterSystem`	Cooling water sizing	`process.equipment.heatexchanger`
`FiredHeater`	Fired heater modeling	`process.equipment.heatexchanger`

I. Chemical Reactions

Capability	Implementation	Notes
Gibbs energy minimization	`GibbsReactor`	Newton-Raphson, element balanced
Stoichiometric reactions	`StoichiometricReaction`	User-defined reactions
Combustion	`FurnaceBurner`	Fuel gas combustion
Sulfur reactions	`SulfurDepositionAnalyser`	Claus + corrosion reactions
Ammonia synthesis	`AmmoniaSynthesisReactor`	Haber-Bosch
Chemical equilibrium DB	`GibbsReactDatabase.csv`	Thermodynamic data
Runaway reaction screening	`RunawayReactionAnalyzer`	Lumped adiabatic: MTSR, dTad, TMRad. No spatial conduction
Self-heating criticality	`PorousMediaSelfHeatingAnalyzer`	Frank-Kamenetskii; critical thickness & temperature for lagging fires
Self-heating (surface-cooled)	`SemenovSelfHeatingAnalyzer`	Semenov 1/e criterion for pools and thin films
Time to spontaneous ignition	`SelfHeatingInductionSolver`	Transient 1-D conduction + Arrhenius source
Oxidation kinetics from oven tests	`BasketTestRegression`	Fits E and P from EN 15188 / ASTM E2021 basket data

I-bis. Bioprocessing & Bioenergy

Capability	Implementation	Notes
Anaerobic digestion	`AnaerobicDigester`	Substrate-specific biogas yields (food waste, sewage, manure, crop residue)
Fermentation kinetics	`FermentationReactor`	Monod, Contois, substrate-inhibited; batch, fed-batch, continuous
Biogas upgrading	`BiogasUpgrader`	Water scrubbing, amine, PSA, membrane; auto CH4/CO2 split
Biomass gasification	`BiomassGasifier`	Air/oxygen/steam; syngas composition from biomass properties
Pyrolysis	`PyrolysisReactor`	Fast, slow, flash; bio-oil, char, gas yields
Sustainability / LCA	`SustainabilityMetrics`	CO₂eq (IPCC AR6 GWP), carbon intensity, EROI, renewable fraction
Biomass characterization	`BiomassCharacterization`	Proximate, ultimate analysis; HHV correlations
Biorefinery costing	`BiorefineryCostEstimator`	Equipment-level CAPEX/OPEX estimation
Biogas-to-grid chain	`BiogasToGridModule`	Pre-built: AD → upgrading → compression → grid
Gasification + FT	`GasificationSynthesisModule`	Pre-built: biomass → syngas → Fischer-Tropsch liquids
Waste-to-energy CHP	`WasteToEnergyCHPModule`	Pre-built: AD → gas engine with electrical + thermal output

I-ter. Equipment Diagnostics & Reliability

Capability	Implementation	Notes
Root cause analysis	`RootCauseAnalyzer`	Bayesian-inspired RCA with multi-source reliability priors
Symptom-based diagnosis	`Symptom` enum (12 symptoms)	TRIP, HIGH_VIBRATION, SURGE, FOULING, etc.
Hypothesis generation	`HypothesisGenerator`	Built-in libraries for compressor, pump, separator, HX, valve
Time-series evidence	`EvidenceCollector`	Trend, threshold, rate-of-change, correlation, multi-parameter pattern
Simulation verification	`SimulationVerifier`	Clone-perturb-compare with graduated severity
Reliability data	`ReliabilityDataSource`	IOGP/SINTEF, CCPS, IEEE 493, Lees, OREDA (9 sources, 4 CSVs)
Equipment failure modes	`EquipmentFailureMode`	MTBF/MTTR/failure rate calculations
Diagnostic reporting	`RootCauseReport`	JSON, text, ranked hypotheses with confidence scores
Custom hypothesis registry	`HypothesisGenerator.register()`	Domain-specific hypothesis extension

Package: neqsim.process.diagnostics, neqsim.process.equipment.failure

J. Known Gaps and Limitations

Major Gaps (commonly requested but missing or incomplete)

Gap	Description	Workaround
Rate-based distillation	No mass-transfer-rate column model	Use equilibrium stages with efficiency
Asphaltene modeling	Limited asphaltene precipitation	Use PC-SAFT with tuned parameters
Erosion modeling	No erosion rate calculation	API RP 14E velocity check only
Detailed heat exchanger design	TEMA-level design with Bell-Delaware, vibration, ASME VIII	Full thermal-hydraulic + mechanical via `ShellAndTubeDesignCalculator`
Dynamic simulation	Limited transient capability	`runTransient()` on ProcessSystem
Reservoir coupling	Simple reservoir only	No full reservoir simulator
Control system simulation	PID controllers + AlarmConfig + InstrumentScheduleGenerator + DynamicProcessHelper	No DCS/SIS emulation
Amine sweetening	Basic Kent-Eisenberg / DM	No rate-based amine model
Membrane separation	Basic membrane model	No detailed permeation
BWRS EOS	Only CH4 + C2H6 parameterized	Use SRK/PR instead
NACE MR0175 material selection	No systematic material logic	Manual standard lookup
Site-specific flare consequences	Point-source radiation, neutral Gaussian centerline dispersion, spherical noise, tip-Mach screening and API 537 flame geometry are available	Use validated specialist models for complex terrain/weather, toxic/combustion detail and final siting
API 2000 detailed vent sizing	`Api2000TankVentingScreeningKernel` aggregates caller-controlled normal/emergency demand and screens rated capacity/pressure; API demand tables/equations, vent area, device selection, and line losses are not implemented	Use the typed kernel for current-edition screening; retain licensed demand derivation and detailed device/network design externally
Full DNV-RP-F104 CO2 pipeline lifecycle assessment	`DnvRpF104Co2PipelineEnvelopeScreeningKernel` screens caller-controlled composition and pressure-temperature margins; a six-capability requirement pack exposes bounded adjacent tools	Retain EOS qualification, DNV-ST-F101 structural design, fracture/decompression/crack arrest, materials/corrosion, construction, operation, safety, requalification, and clause coverage externally
Full DNV-RP-F110 global-buckling assessment	`DnvRpF110GlobalBucklingResponseScreeningKernel` compares external-analysis force/strain/displacement/feed-in responses with caller-controlled limits; a four-capability pack exposes bounded operating, route, F114, and mechanical tools	Retain global structural and pipe-soil models, critical buckling, imperfections/triggers, buckle sharing, local capacity, adjacent standards, and conformity externally
Full DNV-RP-F114 geotechnical pipe-soil assessment	`DnvRpF114PipeSoilInteractionScreeningKernel` compares caller-controlled vertical/axial/lateral demands and resistances; a four-capability pack exposes bounded route, operating, thermal-burial, and mechanical tools	Retain site investigation, soil interpretation, load-displacement/penetration/burial models, time/cyclic effects, uncertainty, structural actions, adjacent standards, and conformity externally
Full pipeline network	LoopedPipeNetwork: NR-GGA solver, 120+ wells, IPR (PI/Vogel/Fetkovich), chokes, tubing VLP, Beggs-Brill multiphase, compressors, regulators, artificial lift (gas lift/ESP/jet/rod pump), water handling, sand erosion (DNV RP O501), corrosion (de Waard-Milliams/NORSOK M-506), GHG emissions tracking	Full-featured production network
DNV-RP-F109 generalized/dynamic response	Transparent absolute-static screen and external-displacement acceptance check only	Supply a validated external response; NeqSim does not reproduce generalized tables, generate dynamic response, or establish conformity

EOS Limitations

EOS	Known Limitation
SRK/PR	Poor near critical point; liquid density without volume correction
CPA	Slower convergence; limited component database for association
GERG-2008	Only natural gas components (21 components)
PC-SAFT	Limited BIP database; slower than cubic EOS
BWRS	Only 2 components parameterized

Component Database Limitations

Component Type	Coverage
Light HCs (C1-C10)	✅ Excellent
Heavy HCs (C11-C36)	✅ Good (TBP fractions)
Common gases (N2, CO2, H2S, H2, O2)	✅ Excellent
Water, MEG, methanol, TEG	✅ Good (CPA parameterized)
Amines (MEA, DEA, MDEA)	⚠️ Limited
Sulfur species (S8, SO2, COS)	⚠️ Partial
Ionic species	⚠️ Limited database
Polymers	⚠️ Few PC-SAFT parameters
Refrigerants	⚠️ Some available
Specialty chemicals	❌ Case-by-case

K. Reservoir & Production Properties

Class	Purpose	Package
`GasPseudoCriticalProperties`	Pseudo-critical T, P	`pvtsimulation.reservoirproperties`
`CompositionEstimation`	Reservoir fluid estimation	`pvtsimulation.reservoirproperties`
`ZFactorCorrelations`	Z-factor (Standing, DAK, etc.)	`pvtsimulation.reservoirproperties`
`SimpleReservoir`	Material balance reservoir	`process.equipment.reservoir`
`Well`	Well inflow model	`process.equipment.well`

Quick Lookup: "Can NeqSim do X?"

Question	Answer	Class/Method
Phase envelope?	✅	`ops.calcPTphaseEnvelope()`
Hydrate temperature?	✅	`ops.hydrateEquilibriumTemperature()`
Wax appearance?	✅	`ops.calcWAT()`
CO2 corrosion rate?	✅	`DeWaardMilliamsCorrosion` (screening); `NorsokM506CorrosionRate` / `NorsokM506ElectrolyteBridge` (rigorous, brine-driven)
H2S sour classification?	✅	`DeWaardMilliamsCorrosion.isSourService()`
Per-segment corrosion+scale profile?	✅	`PipeSegmentIntegrity.fromPipe(...)`
Flow-accelerated corrosion in a closed heating/cooling loop?	✅	`FlowAcceleratedCorrosion` (screening index; NORSOK M-506 does not apply to a CO2-free loop)
In-situ pH at operating temperature from a laboratory pH?	✅	`AmineBufferedPH` (DEA and MDEA buffers)
ISO 6976 calorific value?	✅	`Standard_ISO6976`
Pipeline sizing?	✅	`PipeBeggsAndBrills` + `PipelineMechanicalDesign`
Compressor power?	✅	`Compressor.getPower("kW")`
NPV / DCF?	✅	`DCFCalculator`
Well casing design?	✅	`WellDesignCalculator`
TEG dehydration?	✅	`SimpleTEGAbsorber`
Sulfur deposition?	✅	`SulfurDepositionAnalyser`
JT cooling?	✅	`ThrottlingValve`
Depressurization?	✅	`ProcessSystem.runTransient()`
PSV sizing (gas / liquid, fire case)?	✅	`ReliefValveSizing` (`neqsim.process.util.fire`)
Two-phase PSV (API 520 omega / HEM)?	✅	`ReliefValveSizing.calculateTwoPhaseReliefArea(...)` (Leung omega method)
Tank venting (API 2000)?	🔧	`Api2000TankVentingScreeningKernel` — caller-controlled normal/emergency demand aggregation and rated-capacity/pressure screen; no API table lookup or vent sizing
CO2 pipeline envelope (DNV-RP-F104)?	🔧	`DnvRpF104Co2PipelineEnvelopeScreeningKernel` — current-edition caller-controlled composition and operating-envelope margins; requirement pack maps adjacent capabilities but does not establish conformity
Global buckling response (DNV-RP-F110)?	🔧	`DnvRpF110GlobalBucklingResponseScreeningKernel` — current-edition caller-controlled external-analysis force/strain/displacement/feed-in margins; no buckling or structural-response model and no conformity decision
Pipe-soil interaction (DNV-RP-F114)?	🔧	`DnvRpF114PipeSoilInteractionScreeningKernel` — current-edition caller-controlled vertical/axial/lateral demand-resistance margins; no geotechnical model derivation or conformity decision
Monte Carlo?	✅	`MonteCarloSimulator`
Heat integration?	✅	`PinchAnalyzer`
Amine sweetening?	⚠️ Basic	Kent-Eisenberg model
Biogas production?	✅	`AnaerobicDigester`
Fermentation kinetics?	✅	`FermentationReactor` (Monod/Contois)
Biogas upgrading?	✅	`BiogasUpgrader` (4 technologies)
Biomass gasification?	✅	`BiomassGasifier`
Sustainability / LCA?	✅	`SustainabilityMetrics`
Biogas-to-grid module?	✅	`BiogasToGridModule`
Waste-to-energy CHP?	✅	`WasteToEnergyCHPModule`
Rate-based column?	❌	Not available
Scale prediction?	✅	`ElectrolyteScaleCalculator` (SI), `ScaleKinetics` (rate), `BrineMixingScaleEvaluator` (mixing), `system.checkScalePotential(phase)`
Detailed HX design?	❌	Use duty + LMTD
Full reservoir sim?	❌	`SimpleReservoir` only
CO2 injection well analysis?	✅	`CO2InjectionWellAnalyzer`
CO2 wellbore shutdown transient?	✅	`TransientWellbore`
CO2 flow corrections?	✅	`CO2FlowCorrections`
Impurity monitoring?	✅	`ImpurityMonitor`
Formation temperature gradient?	✅	`PipeBeggsAndBrills.setFormationTemperatureGradient()`
Motor sizing?	✅	`ElectricalMotor.sizeMotor()`
Motor foundation design?	✅	`MotorMechanicalDesign`
Motor vibration check?	✅	`MotorMechanicalDesign.getVibrationZone()`
Electrical load list?	✅	`ElectricalLoadList`
Combined design report?	✅	`EquipmentDesignReport`
VFD selection?	✅	`VariableFrequencyDrive`
Cable sizing?	✅	`ElectricalCable`
Hazardous area classification?	✅	`HazardousAreaClassification`

L. Gap-Detection Protocol (for the Capability Scout — run in Step 1)

Use this map together with CHANGELOGAGENTNOTES.md before a task reaches Step 2 (notebook analysis), so missing capability is discovered while the plan is still cheap to change — not mid-simulation.

Classify every required capability

For each capability the task needs, classify against sections A–K and the Known-Gaps table (section J):

Verdict	Meaning	Action in Step 1
✅ Available	Class/method exists (found in this map or the source)	Cite the class; proceed
⚠️ Partial	Exists but limited (see section J / EOS limitations)	Note the limitation; plan a workaround
🔧 Workaround	Achievable by composing existing API	Document the recipe
❌ Missing	Not in NeqSim (confirmed by source search)	Write a NIP in `neqsim_improvements.md`; decide extend-vs-defer NOW

Emit a machine-readable readiness verdict (MANDATORY)

The Capability Scout MUST close capability_assessment.md with a single verdict line so downstream agents (and the @review gate) can act on it:

capability_readiness: READY | READY_WITH_WORKAROUNDS | NEEDS_NIP | BLOCKED

READY — every Critical capability is ✅ Available.
READYWITHWORKAROUNDS — Critical capabilities are ✅/🔧; workarounds documented.
NEEDS_NIP — a Critical/Important capability is ❌ Missing; NIP written, extend planned.
BLOCKED — a Critical capability is ❌ Missing with no viable workaround or NIP path.

Verify before flagging (avoid false gaps)

Always confirm a suspected gap with a source search (grepsearch / filesearch) before writing a NIP. This map is corrected as capabilities land — e.g. two-phase PSV sizing (ReliefValveSizing.calculateTwoPhaseReliefArea, API 520 omega method) is already present and must not be re-flagged as missing. Confirmed partial capabilities (e.g. API 2000 screening without detailed vent sizing) are recorded in section J; add newly confirmed gaps there so the next scout does not repeat the search.